6MOO
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![BU of 6moo by Molmil](/molmil-images/mine/6moo) | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MO4
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![BU of 6mo4 by Molmil](/molmil-images/mine/6mo4) | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | Descriptor: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOD
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![BU of 6mod by Molmil](/molmil-images/mine/6mod) | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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7TVK
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![BU of 7tvk by Molmil](/molmil-images/mine/7tvk) | |
3DB6
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![BU of 3db6 by Molmil](/molmil-images/mine/3db6) | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902 | Descriptor: | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1 | Authors: | Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J. | Deposit date: | 2008-05-30 | Release date: | 2008-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme. Acta Crystallogr.,Sect.F, 64, 2008
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6NPW
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![BU of 6npw by Molmil](/molmil-images/mine/6npw) | SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide | Descriptor: | PHOSPHATE ION, Ser2/Ser5 phosphorylated peptide, Ssu72 ortholog, ... | Authors: | Irani, S, Zhang, Y. | Deposit date: | 2019-01-18 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Structural determinants for accurate dephosphorylation of RNA polymerase II by its cognate C-terminal domain (CTD) phosphatase during eukaryotic transcription. J.Biol.Chem., 294, 2019
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4Z5W
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![BU of 4z5w by Molmil](/molmil-images/mine/4z5w) | The plant peptide hormone receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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6NZM
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![BU of 6nzm by Molmil](/molmil-images/mine/6nzm) | Brutons tyrosine kinase in complex with compound 50. | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J. | Deposit date: | 2019-02-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg.Med.Chem., 27, 2019
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3HI6
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3DXX
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![BU of 3dxx by Molmil](/molmil-images/mine/3dxx) | Crystal structure of EcTrmB | Descriptor: | GLYCEROL, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-07-25 | Release date: | 2009-05-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion Proteins, 76, 2009
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4Z61
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![BU of 4z61 by Molmil](/molmil-images/mine/4z61) | The plant peptide hormone receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-ILE-PTR-THR-GLN, Phytosulfokine receptor 1, ... | Authors: | Chai, J, Wang, J. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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4Z62
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![BU of 4z62 by Molmil](/molmil-images/mine/4z62) | The plant peptide hormone free receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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3DXY
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![BU of 3dxy by Molmil](/molmil-images/mine/3dxy) | Crystal structure of EcTrmB in complex with SAM | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, SULFATE ION, ... | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-07-25 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion Proteins, 76, 2009
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3DXZ
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![BU of 3dxz by Molmil](/molmil-images/mine/3dxz) | Crystal structure of EcTrmB in complex with SAH | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W. | Deposit date: | 2008-07-25 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion Proteins, 76, 2009
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8DT0
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![BU of 8dt0 by Molmil](/molmil-images/mine/8dt0) | |
8E55
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![BU of 8e55 by Molmil](/molmil-images/mine/8e55) | |
8E1E
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1GG9
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![BU of 1gg9 by Molmil](/molmil-images/mine/1gg9) | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, HIS128ASN VARIANT. | Descriptor: | CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | Deposit date: | 2000-08-11 | Release date: | 2000-08-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli. Proteins, 44, 2001
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1GGH
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![BU of 1ggh by Molmil](/molmil-images/mine/1ggh) | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, HIS128ALA VARIANT. | Descriptor: | CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | Deposit date: | 2000-08-21 | Release date: | 2000-08-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli. Proteins, 44, 2001
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1GGF
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![BU of 1ggf by Molmil](/molmil-images/mine/1ggf) | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, VARIANT HIS128ASN, COMPLEX WITH HYDROGEN PEROXIDE. | Descriptor: | CATALASE HPII, HYDROGEN PEROXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | Deposit date: | 2000-08-21 | Release date: | 2000-08-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli. Proteins, 44, 2001
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1GGK
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![BU of 1ggk by Molmil](/molmil-images/mine/1ggk) | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, ASN201HIS VARIANT. | Descriptor: | CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | Deposit date: | 2000-08-21 | Release date: | 2000-08-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli. Proteins, 44, 2001
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3PWY
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![BU of 3pwy by Molmil](/molmil-images/mine/3pwy) | Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2 | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide | Authors: | Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery. Bioorg.Med.Chem.Lett., 21, 2011
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3PN1
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![BU of 3pn1 by Molmil](/molmil-images/mine/3pn1) | Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase | Authors: | Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo. Antimicrob.Agents Chemother., 55, 2011
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7BZ7
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![BU of 7bz7 by Molmil](/molmil-images/mine/7bz7) | Template lasso peptide C24 mutant F15Y | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7BZ9
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![BU of 7bz9 by Molmil](/molmil-images/mine/7bz9) | Template lasso peptide C24 mutant I4A | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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